NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3788 8.2644 123.5842 52.3546 19.4550 175.7928 3 R 4.2734 7.5005 121.5177 54.9921 33.2392 175.4329 4 K 3.8109 8.4917 120.2614 59.3773 33.2923 178.1081 5 A 4.1044 7.9614 120.0771 54.2332 18.0112 179.0007 6 L 4.0053 7.1708 119.1252 58.3940 42.1074 178.9431 7 I 3.9409 7.6638 112.8618 63.5710 37.5355 178.0005 8 E 3.9238 8.0735 120.3106 59.3343 29.3148 178.7826 9 K 3.9392 7.8629 119.3335 59.2322 31.9321 177.6781 10 A 3.6453 7.3314 117.5827 53.1382 18.3920 178.2157 11 K 4.2725 7.8952 116.6633 57.3023 33.8122 178.3444 12 R 3.9490 7.4204 117.7892 59.0194 31.7190 177.0498 13 T 3.4327 7.7633 111.9999 64.2274 65.2886 170.8008 14 P 4.4417 0.0000 0.0000 63.6922 32.4089 176.9951 15 K 4.1241 7.2215 116.5907 55.4352 35.6581 175.0420 16 F 4.0459 7.0369 116.8036 57.7961 39.4185 176.7211 17 K 4.2836 8.6905 122.2718 58.4114 32.8818 178.3516 18 V 3.7482 7.9542 121.2138 66.4588 31.4707 177.8391 19 R 4.2545 8.1113 114.2734 57.1207 29.8659 176.3717 20 A 4.1439 7.6285 123.1137 52.0779 18.5499 176.7793 21 Y 4.9285 7.7484 120.4503 55.0214 41.1889 175.0462 22 T 4.1233 8.5340 111.6849 61.9096 69.7080 173.3872 23 R 4.4606 8.0750 116.3032 55.4649 32.9470 173.4237 24 C 4.0451 8.9387 126.5008 59.9003 32.0645 174.5794 25 V 3.6307 8.5341 127.3101 65.9141 31.5468 176.7243 26 R 3.9521 7.9277 118.8827 57.4998 29.4267 177.5428 27 C 3.8142 8.7968 120.7554 60.2822 30.1686 176.0098 28 G 4.2846 7.8872 106.2320 45.8309 0.0000 173.5483 29 R 4.0125 7.8474 119.0174 56.3390 30.7269 176.8187 30 A 4.4281 8.5831 124.8825 53.0730 20.1526 177.7316 31 R 4.5190 7.6431 109.9810 55.1268 32.0083 175.1659 32 S 3.4902 8.2387 110.7402 59.6697 60.2466 172.0815 33 V 4.5975 7.5976 119.2347 61.2270 32.7660 174.4742 34 Y 4.4137 8.7801 125.9385 57.5537 38.5791 177.1712 35 R 4.0435 8.8844 123.5984 59.3458 30.6668 178.0150 36 F 4.0357 8.6433 118.9519 61.2345 39.3503 175.9349 37 F 4.4737 8.7808 115.8488 57.2218 39.5590 176.1839 38 G 4.1244 8.3618 108.9897 46.2811 0.0000 173.1382 39 L 5.1995 7.7853 117.3923 52.1955 45.3001 176.1489 40 C 4.9601 8.4375 115.8372 57.6769 30.5931 174.9475 41 R 4.2501 8.4249 117.9070 59.5876 29.2486 178.9539 42 I 3.8594 7.7151 120.2844 64.2036 37.2900 177.7468 43 C 4.9374 8.4132 116.3640 60.9243 29.1843 175.7861 44 L 3.8557 7.6555 121.3964 58.3824 40.0819 179.0675 45 R 3.8264 7.8317 119.0788 59.3452 29.8866 178.4345 46 E 3.9843 7.9452 117.7288 59.3540 29.5005 179.1060 47 L 3.9662 8.0866 118.8469 57.6874 41.7953 179.2423 48 A 3.9645 8.5421 121.0440 55.7234 18.0473 179.4732 49 H 4.1223 7.8931 112.9448 58.8436 28.8970 177.8666 50 K 4.1787 8.0890 118.7738 57.1817 32.2115 178.4384 51 G 3.9982 8.0090 107.1714 45.8513 0.0000 174.9220 52 Q 4.2546 7.6667 117.4502 56.0185 28.5092 176.0360 53 L 4.7028 8.0612 118.7687 52.0958 43.9269 174.4481 54 P 4.0788 0.0000 0.0000 64.1485 31.7909 176.6031 55 G 4.2670 8.9938 115.9908 46.0731 0.0000 174.3032 56 V 3.5302 6.9371 117.4770 63.3510 31.6606 175.0560 57 R 4.5330 8.1177 125.2940 54.2391 32.9861 173.9690 58 K 3.8241 8.5866 123.3947 56.6771 32.1613 176.2692 59 A 4.5356 8.3748 129.8374 51.6802 19.6898 176.5254 60 S 4.4680 8.5721 111.4455 57.4668 65.4325 175.9571 61 W 4.6891 8.1948 120.9021 56.9361 27.4985 174.1907 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.38 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.50 4.27 0.00 1.89 1.86 0.00 3.19 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 4 K 8.49 3.81 0.00 1.92 1.78 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 7.96 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.17 4.01 0.00 1.70 1.87 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.66 3.94 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.83 0.95 0.00 0.00 8 E 8.07 3.92 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 9 K 7.86 3.94 0.00 1.80 2.02 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 A 7.33 3.65 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.90 4.27 0.00 1.64 1.80 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.66 7.81 12 R 7.42 3.95 0.00 1.86 1.92 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 13 T 7.76 3.43 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 P 0.00 4.44 0.00 2.13 2.14 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 15 K 7.22 4.12 0.00 1.79 1.25 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.46 7.81 16 F 7.04 4.05 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.69 4.28 0.00 1.89 1.97 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 V 7.95 3.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 19 R 8.11 4.25 0.00 1.95 2.11 0.00 3.56 0.00 0.00 3.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 20 A 7.63 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.75 4.93 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.53 4.12 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 R 8.07 4.46 0.00 1.73 1.79 0.00 3.48 0.00 0.00 3.49 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 24 C 8.94 4.05 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.53 3.63 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 26 R 7.93 3.95 0.00 1.95 1.75 0.00 3.23 0.00 0.00 3.42 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 27 C 8.80 3.81 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.85 4.01 0.00 1.93 1.85 0.00 3.23 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 30 A 8.58 4.43 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.64 4.52 0.00 1.88 1.90 0.00 3.18 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 32 S 8.24 3.49 0.00 4.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.60 4.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.09 0.00 0.00 34 Y 8.78 4.41 0.00 3.40 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.88 4.04 0.00 1.91 2.06 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 36 F 8.64 4.04 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.78 4.47 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.36 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.79 5.20 0.00 1.82 1.60 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.44 4.96 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.42 4.25 0.00 2.23 2.38 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 I 7.72 3.86 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.17 0.92 0.00 0.00 43 C 8.41 4.94 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.66 3.86 0.00 1.56 1.90 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.83 3.83 0.00 1.92 2.23 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 46 E 7.95 3.98 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 47 L 8.09 3.97 0.00 1.77 1.72 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.54 3.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.89 4.12 0.00 3.34 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.09 4.18 0.00 1.87 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 51 G 8.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.67 4.25 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 53 L 8.06 4.70 0.00 1.70 1.71 0.73 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.08 0.00 2.10 2.06 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 55 G 8.99 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 6.94 3.53 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.19 0.00 0.00 57 R 8.12 4.53 0.00 1.87 1.72 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 58 K 8.59 3.82 0.00 1.73 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 59 A 8.37 4.54 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.57 4.47 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.19 4.69 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00